(2Z)-2-[3-(4-bromophenyl)-5-[(3-bromophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide
Formula:C24H17N3O3Br2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[3-(4-bromophenyl)-5-[(3-bromophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide is not a drug-like molecule.
| MolName | (2Z)-2-[3-(4-bromophenyl)-5-[(3-bromophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide |
| MolecularFormula | C24H17N3O3Br2S |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C(\N1c(cc2)ccc2Br)/SC(Cc2cccc(Br)c2)C1=O |
| InChI | InChI=1S/C24H17Br2N3O3S/c25-16-6-8-18(9-7-16)29-23(31)21(12-15-3-1-4-17(26)11-15)33-24(29)20(13-27)22(30)28-14-19-5-2-10-32-19/h1-11,21H,12,14H2,(H,28,30)/t21-/m0/s1 |
| InChIK | RPLNURYOYVEBEW-NRFANRHFSA-N |
| TotalMolweight | 587.291 |
| Molweight | 587.291 |
| MonoisotopicMass | 584.935734 |
| CLogP | 5.0636 |
| CLogS | -6.98 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 365.63 |
| Relative PSA | 0.23589 |
| PolarSurfaceArea | 111.64 |
| Druglikeness | -0.24521 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-[3-(4-bromophenyl)-5-[(3-bromophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide | 2 - (2Z)-2-[3-(4-bromophenyl)-5-[(3-bromophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide
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